Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 16/20 | 0.85 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.85 |
| ▸ | MAOA | P21397 | 4/20 | 0.85 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.85 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29721324 | 1.00 | KDM1A (0.85) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| SCHEMBL19609272 | 1.00 | KDM1A (0.85) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| Trifluoroacetic Acid SCHEMBL29720965 | 0.95 | KDM1A (0.80) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| SCHEMBL19609273 | 0.86 | KDM1A (0.70) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| SCHEMBL19609872 | 0.84 | KDM1A (0.83) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| SCHEMBL28271443 | 0.81 | KDM1A (0.68) | KDM1AHDAC1MAOAHDAC2HDAC5 | |
| SCHEMBL1063750 | 0.80 | HDAC1 (0.83) | HDAC1HDAC2HDAC6 | |
| SCHEMBL8348757 | 0.80 | HDAC1 (0.83) | HDAC1HDAC2HDAC6 | |
| SCHEMBL1063749 | 0.80 | HDAC1 (0.83) | HDAC1HDAC2HDAC6 | |
| Trifluoroacetic Acid SCHEMBL29721116 | 0.79 | KDM1A (0.74) | KDM1AHDAC1MAOAHDAC2HDAC5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109153636-B | Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors | 朱比连特埃皮科尔有限责任公司 | 2021-10-22 | — | — | CN | disclosed |